ChemSpider 2D Image | Aridanin | C38H61NO8

Aridanin

  • Molecular FormulaC38H61NO8
  • Average mass659.893 Da
  • Monoisotopic mass659.439697 Da
  • ChemSpider ID65922

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β)-3-[(2-Acetamido-2-deoxy-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-[(2-Acetamido-2-desoxy-β-D-glucopyranosyl)oxy]olean-12-en-28-säure [German] [ACD/IUPAC Name]
81053-26-1 [RN]
Acide (3β)-3-[(2-acétamido-2-désoxy-β-D-glucopyranosyl)oxy]oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Aridanin
Olean-12-en-28-oic acid, 3-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-, (3β)- [ACD/Index Name]
(3β)-3-{[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy}olean-12-en-28-oic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL505516/
Olean-12-en-28-oic acid, 3-((2-(acetylamino)-2-deoxy-β-D-glucopyranosyl)oxy)-, (3β)-
Olean-12-en-28-oic acid, 3-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-, (3β)-

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS058055 [DBID]
AIDS-058055 [DBID]
C08922 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 794.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±6.0 kJ/mol
Flash Point: 434.4±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 178.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 6.61
ACD/BCF (pH 5.5): 37291.27
ACD/KOC (pH 5.5): 35721.09
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 587.05
ACD/KOC (pH 7.4): 562.33
Polar Surface Area: 146 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 538.0±5.0 cm3

Click to predict properties on the Chemicalize site


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